SCHEMBL6741946

SCHEMBL6741946

CCC(CS)C(=O)OCC(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.41
CPB2 Q96IY4 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.37
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
NFKB1 P19838 1/20 0.33
PTGS1 P23219 1/20 0.33
APEX1 P27695 1/20 0.33
THPO P40225 1/20 0.33
PMP22 Q01453 1/20 0.33
KMT2A Q03164 1/20 0.33
USP2 O75604 1/20 0.31
BIRC2 Q13490 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6894886 0.87 TSHR (0.46) TSHRSMN1; SMN2ALDH1A1CA1CA2
SCHEMBL4851184 0.85 TSHR (0.45) TSHRSMN1; SMN2ALDH1A1CA1CA2
SCHEMBL6739857 0.81 TSHR (0.42) TSHRSMN1; SMN2ALDH1A1CA1CA2
SCHEMBL6739860 0.81 TSHR (0.42) TSHRSMN1; SMN2ALDH1A1CA1CA2
SCHEMBL28983535 0.81 TSHR (0.42) TSHRSMN1; SMN2ALDH1A1CA1CA2
SCHEMBL6739813 0.80 CPB2 (0.56) TSHRCPB2ALDH1A1CA1CA2
SCHEMBL27658002 0.79 TSHR (0.45) TSHRSMN1; SMN2ALDH1A1CA1CA2
SCHEMBL6741944 0.79 TSHR (0.41) TSHRSMN1; SMN2ALDH1A1CA1CA2
SCHEMBL7217708 0.79 CA2 (0.47) TSHRSMN1; SMN2ALDH1A1CA1CA2
SCHEMBL23265022 0.78 CA2 (0.41) TSHRCPB2SMN1; SMN2ALDH1A1CA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040043903-A1 Herbicides; applying to plants BASF AKTIENGESELLSCHAFT (DE) 2004-03-04 US disclosed
US-20040023807-A1 3-Arylisothiazoles and their use as herbicides BASF AKTIENGESELLSCHAFT (DE) 2004-02-05 US disclosed
US-20030216257-A1 1-aryl-4-alkyl halide-2(1h)-pyridones and their use as herbicides BASF AKTIENGESELLSCHAFT (DE) 2003-11-20 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040023807-A1 3-Arylisothiazoles and their use as herbicides DDT, HAX1, SULT1E1 TSHR 762/4885CPB2 3354/4885SMN1; SMN2 4034/4885
US-20040043903-A1 Herbicides; applying to plants DDT, DRD1, DRD4 TSHR 1003/4885CPB2 2635/4885SMN1; SMN2 4597/4885
US-20030216257-A1 1-aryl-4-alkyl halide-2(1h)-pyridones and their use as herbicides CYP1B1, DDT, CYP1A1 TSHR 706/4885CPB2 1962/4885SMN1; SMN2 3755/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.